4-(1,3-dimethyl-7-oxidanylidene-4H-pyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonic acid

Systemtic Name: 4-(1,3-dimethyl-7-oxidanylidene-4H-pyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonic acid Openeye Name: 4-(1,3-dimethyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonic acid CAS Name: 4-(1,3-dimethyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonic acid IUPAC Name: 4-(1,3-dimethyl-7-oxo-4H-pyrazolo[4,3-d]pyrimidin-5-yl)benzenesulfonic acid Traditional Name: 4-(7-keto-1,3-dimethyl-4H-pyrazolo[4,3-d]pyrimidin-5-yl)besylic acid Formula: C13H12N4O4S MolecularWeight: 320.32378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1NC(=NC2=O)C3=CC=C(C=C3)S(=O)(=O)O)C

Isomeric SMILES

CC1=NN(C2=C1NC(=NC2=O)C3=CC=C(C=C3)S(=O)(=O)O)C

InChI

InChI=1S/C13H12N4O4S/c1-7-10-11(17(2)16-7)13(18)15-12(14-10)8-3-5-9(6-4-8)22(19,20)21/h3-6H,1-2H3,(H,14,15,18)(H,19,20,21)